⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL11451590 | 0.87 | ALDH1A1 (0.37) | — | |
| SCHEMBL18855928 | 0.87 | ALDH1A1 (0.37) | — | |
| SCHEMBL4040038 | 0.87 | ALDH1A1 (0.41) | — | |
| SCHEMBL4043026 | 0.87 | ALDH1A1 (0.41) | — | |
| SCHEMBL3235578 | 0.82 | ALDH1A1 (0.38) | — | |
| SCHEMBL7631863 | 0.81 | — | — | |
| SCHEMBL7753762 | 0.81 | — | — | |
| SCHEMBL10607409 | 0.77 | — | — | |
| SCHEMBL7264968 | 0.74 | ALDH1A1 (0.48) | — | |
| SCHEMBL502747 | 0.74 | ALDH1A1 (0.48) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9205144-B2 | Identification of conserved peptide blocks in homologous polypeptides | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2015-12-08 | — | — | US | disclosed |